N-[(Z)-pent-3-en-2-ylidene]formamide

C6H9NO — CID 146239104

IUPACN-[(Z)-pent-3-en-2-ylidene]formamide
SMILESC/C=C\C(C)=N\C=O
InChIInChI=1S/C6H9NO/c1-3-4-6(2)7-5-8/h3-5H,1-2H3/b4-3-,7-6+
InChIKeySLLIMNSLGNNPFC-WWVFNRLHSA-N
MW111.14 g/mol
LogP1.18
Rot. Bonds2

About N-[(Z)-pent-3-en-2-ylidene]formamide

N-[(Z)-pent-3-en-2-ylidene]formamide (PubChem CID 146239104) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-[(Z)-pent-3-en-2-ylidene]formamide.

Molecular Properties

Compound NameN-[(Z)-pent-3-en-2-ylidene]formamide
PubChem CID146239104
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-[(Z)-pent-3-en-2-ylidene]formamide
SMILESC/C=C\C(C)=N\C=O
InChIInChI=1S/C6H9NO/c1-3-4-6(2)7-5-8/h3-5H,1-2H3/b4-3-,7-6+
InChIKeySLLIMNSLGNNPFC-WWVFNRLHSA-N
XLogP1.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
N-[(Z)-4-(dimethylamino)but-3-en-2-ylidene]formamide
CID 143899645
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
N-(2-methyl-3-methylidenehexa-1,4-dienyl)pent-3-en-2-imine
CID 91089297
pent-3-en-2-one
CID 12248
acetaldehyde;methanol
CID 19366238
N-propylpent-3-en-2-imine
CID 123895305
hepta-2,5-dien-4-one
CID 54179619
(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
CID 126661402
tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate
CID 90989590
methanol;(2E)-4-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dienal
CID 142143144
N-methyl-N-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethenamine
CID 170123131

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pent-3-en-2-ylidene]formamide?
The IUPAC name of N-[(Z)-pent-3-en-2-ylidene]formamide (CID 146239104) is N-[(Z)-pent-3-en-2-ylidene]formamide.
What is the SMILES notation for N-[(Z)-pent-3-en-2-ylidene]formamide?
The canonical SMILES for N-[(Z)-pent-3-en-2-ylidene]formamide is C/C=C\C(C)=N\C=O.
What is the InChIKey of N-[(Z)-pent-3-en-2-ylidene]formamide?
The InChIKey is SLLIMNSLGNNPFC-WWVFNRLHSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4-6(2)7-5-8/h3-5H,1-2H3/b4-3-,7-6+.
What are the key properties of N-[(Z)-pent-3-en-2-ylidene]formamide?
N-[(Z)-pent-3-en-2-ylidene]formamide has a molecular weight of 111.14 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pent-3-en-2-ylidene]formamide is sourced from PubChem (CID 146239104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).