(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide

C14H21FN2O — CID 156837616

IUPAC(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide
SMILESCC(C)=C(F)[C@H](C)NC(=O)[C@@H]1C[C@@]2(C)C=C[C@H]2N1
InChIInChI=1S/C14H21FN2O/c1-8(2)12(15)9(3)16-13(18)10-7-14(4)6-5-11(14)17-10/h5-6,9-11,17H,7H2,1-4H3,(H,16,18)/t9-,10-,11+,14+/m0/s1
InChIKeyHIFXDEKMYRCHIF-KZWBYHQPSA-N
MW252.33 g/mol
LogP2.06
Rot. Bonds3

About (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide

(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide (PubChem CID 156837616) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide
PubChem CID156837616
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide
SMILESCC(C)=C(F)[C@H](C)NC(=O)[C@@H]1C[C@@]2(C)C=C[C@H]2N1
InChIInChI=1S/C14H21FN2O/c1-8(2)12(15)9(3)16-13(18)10-7-14(4)6-5-11(14)17-10/h5-6,9-11,17H,7H2,1-4H3,(H,16,18)/t9-,10-,11+,14+/m0/s1
InChIKeyHIFXDEKMYRCHIF-KZWBYHQPSA-N
XLogP2.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide with MolForge

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Related Compounds

N-[(4-fluorocyclohex-3-en-1-yl)methyl]pyrrolidine-2-carboxamide
CID 172877858
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CID 139371875
N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 151811015
(1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 156837437
(1R,3S,5R)-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]heptane-3-carboxamide
CID 156837578
(1R,3S,5R)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176786641
N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 176786716
N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide
CID 143101764
1-Cyclopent-2-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22984677
1-Cyclopent-2-en-1-yl-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 22984679
1-Cyclopent-3-en-1-yl-5,5-dimethyl-3-(methylamino)azepan-2-one
CID 22984685
10-Methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 86063202

Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide?
The IUPAC name of (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide (CID 156837616) is (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide.
What is the SMILES notation for (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide?
The canonical SMILES for (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide is CC(C)=C(F)[C@H](C)NC(=O)[C@@H]1C[C@@]2(C)C=C[C@H]2N1.
What is the InChIKey of (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide?
The InChIKey is HIFXDEKMYRCHIF-KZWBYHQPSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-8(2)12(15)9(3)16-13(18)10-7-14(4)6-5-11(14)17-10/h5-6,9-11,17H,7H2,1-4H3,(H,16,18)/t9-,10-,11+,14+/m0/s1.
What are the key properties of (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide?
(1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide has a molecular weight of 252.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]-5-methyl-2-azabicyclo[3.2.0]hept-6-ene-3-carboxamide is sourced from PubChem (CID 156837616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).