N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide

C8H13NO2 — CID 59959773

IUPACN-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide
SMILESC/C=C(/C)C(C)N(C=O)C=O
InChIInChI=1S/C8H13NO2/c1-4-7(2)8(3)9(5-10)6-11/h4-6,8H,1-3H3/b7-4-
InChIKeyKFCIXUJGBWFOQR-DAXSKMNVSA-N
MW155.20 g/mol
LogP0.96
Rot. Bonds4

About N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide

N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide (PubChem CID 59959773) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide.

Molecular Properties

Compound NameN-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide
PubChem CID59959773
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide
SMILESC/C=C(/C)C(C)N(C=O)C=O
InChIInChI=1S/C8H13NO2/c1-4-7(2)8(3)9(5-10)6-11/h4-6,8H,1-3H3/b7-4-
InChIKeyKFCIXUJGBWFOQR-DAXSKMNVSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,3-dimethylpent-3-enal
CID 19695132
(E)-2,3,4-trimethylhex-4-enal
CID 134888661
(Z)-3,4-dimethylpent-2-ene;ethane
CID 143977238
(Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
CID 14921251
(Z,2S)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
CID 101053961
(E,2R)-2,3-dimethylpent-3-enoic acid
CID 14452500
4-chloro-3-methylpent-2-ene
CID 85440898
3,4,4,5,6-pentamethyl-2-methylideneoct-6-enal
CID 151595685
(5E)-3-chloro-2,4,5-trimethylhepta-2,5-diene
CID 146393008
2-but-2-en-2-yloxybutane
CID 54492212
(2S)-2-[formyl(hydroxy)amino]propanoic acid
CID 6336523
2-[2-(3-hydroxy-4-methylhex-4-en-2-yl)hydrazinyl]-2-methylpropanal
CID 167245652

Frequently Asked Questions

What is the IUPAC name of N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide?
The IUPAC name of N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide (CID 59959773) is N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide.
What is the SMILES notation for N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide?
The canonical SMILES for N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide is C/C=C(/C)C(C)N(C=O)C=O.
What is the InChIKey of N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide?
The InChIKey is KFCIXUJGBWFOQR-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-7(2)8(3)9(5-10)6-11/h4-6,8H,1-3H3/b7-4-.
What are the key properties of N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide?
N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide has a molecular weight of 155.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide is sourced from PubChem (CID 59959773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).