N-hex-2-enylformamide

C7H13NO — CID 54372150

IUPACN-hex-2-enylformamide
SMILESCCCC=CCNC=O
InChIInChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h4-5,7H,2-3,6H2,1H3,(H,8,9)
InChIKeyCUBZPHRFBVKZDV-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.09
Rot. Bonds5

About N-hex-2-enylformamide

N-hex-2-enylformamide (PubChem CID 54372150) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-hex-2-enylformamide.

Molecular Properties

Compound NameN-hex-2-enylformamide
PubChem CID54372150
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-hex-2-enylformamide
SMILESCCCC=CCNC=O
InChIInChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h4-5,7H,2-3,6H2,1H3,(H,8,9)
InChIKeyCUBZPHRFBVKZDV-UHFFFAOYSA-N
XLogP1.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.09
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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Related Compounds

N-[(E)-hept-2-enyl]formamide
CID 87925184
N-methylhex-2-en-1-amine
CID 85238647
N-[(2E,4E)-pentadeca-2,4-dienyl]formamide
CID 121306695
(4E,8E)-dodeca-4,8-diene
CID 12576905
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407
2-(hex-2-enylamino)ethanol
CID 173239159
(E)-octadec-14-enal
CID 5367669
N-butyl-N'-hex-2-enylmethanediamine
CID 123196716
N-[(Z)-octadec-9-enyl]formamide;trihydrochloride
CID 174550663
alumane;butanal
CID 175259224
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036

Frequently Asked Questions

What is the IUPAC name of N-hex-2-enylformamide?
The IUPAC name of N-hex-2-enylformamide (CID 54372150) is N-hex-2-enylformamide.
What is the SMILES notation for N-hex-2-enylformamide?
The canonical SMILES for N-hex-2-enylformamide is CCCC=CCNC=O.
What is the InChIKey of N-hex-2-enylformamide?
The InChIKey is CUBZPHRFBVKZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h4-5,7H,2-3,6H2,1H3,(H,8,9).
What are the key properties of N-hex-2-enylformamide?
N-hex-2-enylformamide has a molecular weight of 127.19 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-2-enylformamide is sourced from PubChem (CID 54372150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).