(5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one

C18H28N4O — CID 124821175

IUPAC(5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
SMILESC=CCN1C(=O)CC[C@@]12CCCN(Cc1cnn(C)c1)[C@@H]2CC
InChIInChI=1S/C18H28N4O/c1-4-10-22-17(23)7-9-18(22)8-6-11-21(16(18)5-2)14-15-12-19-20(3)13-15/h4,12-13,16H,1,5-11,14H2,2-3H3/t16-,18-/m1/s1
InChIKeyVYBRSCNDPPEYLC-SJLPKXTDSA-N
MW316.45 g/mol
LogP2.34
Rot. Bonds5

About (5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one

(5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 124821175) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
PubChem CID124821175
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
SMILESC=CCN1C(=O)CC[C@@]12CCCN(Cc1cnn(C)c1)[C@@H]2CC
InChIInChI=1S/C18H28N4O/c1-4-10-22-17(23)7-9-18(22)8-6-11-21(16(18)5-2)14-15-12-19-20(3)13-15/h4,12-13,16H,1,5-11,14H2,2-3H3/t16-,18-/m1/s1
InChIKeyVYBRSCNDPPEYLC-SJLPKXTDSA-N
XLogP2.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S,10S)-10-ethyl-1-prop-2-enyl-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375597
(5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
CID 124794901
(5S,10S)-10-ethyl-9-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155837157
(5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 124822749
(3aS,6aR)-4-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124816025
(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
CID 97392437
(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97369146
(5R,10R)-10-ethyl-1-(2-methoxyethyl)-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 124799351
8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493756
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 97375553
9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645106
5-[(1-methylpyrazol-4-yl)methyl]-9-prop-2-enoxy-2-oxa-5-azabicyclo[4.2.1]nonane
CID 131647231

Frequently Asked Questions

What is the IUPAC name of (5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one (CID 124821175) is (5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one is C=CCN1C(=O)CC[C@@]12CCCN(Cc1cnn(C)c1)[C@@H]2CC.
What is the InChIKey of (5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is VYBRSCNDPPEYLC-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H28N4O/c1-4-10-22-17(23)7-9-18(22)8-6-11-21(16(18)5-2)14-15-12-19-20(3)13-15/h4,12-13,16H,1,5-11,14H2,2-3H3/t16-,18-/m1/s1.
What are the key properties of (5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one?
(5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 316.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 124821175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).