N-pent-4-enylformamide

C6H11NO — CID 19105614

IUPACN-pent-4-enylformamide
SMILESC=CCCCNC=O
InChIInChI=1S/C6H11NO/c1-2-3-4-5-7-6-8/h2,6H,1,3-5H2,(H,7,8)
InChIKeyGOBMXTCBGRXJOT-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds5

About N-pent-4-enylformamide

N-pent-4-enylformamide (PubChem CID 19105614) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-pent-4-enylformamide.

Molecular Properties

Compound NameN-pent-4-enylformamide
PubChem CID19105614
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-pent-4-enylformamide
SMILESC=CCCCNC=O
InChIInChI=1S/C6H11NO/c1-2-3-4-5-7-6-8/h2,6H,1,3-5H2,(H,7,8)
InChIKeyGOBMXTCBGRXJOT-UHFFFAOYSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-pent-4-enylformamide?
The IUPAC name of N-pent-4-enylformamide (CID 19105614) is N-pent-4-enylformamide.
What is the SMILES notation for N-pent-4-enylformamide?
The canonical SMILES for N-pent-4-enylformamide is C=CCCCNC=O.
What is the InChIKey of N-pent-4-enylformamide?
The InChIKey is GOBMXTCBGRXJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-4-5-7-6-8/h2,6H,1,3-5H2,(H,7,8).
What are the key properties of N-pent-4-enylformamide?
N-pent-4-enylformamide has a molecular weight of 113.16 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-enylformamide is sourced from PubChem (CID 19105614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).