(2E)-2-ethylidene-N-methylidenehexanamide

C9H15NO — CID 129137077

IUPAC(2E)-2-ethylidene-N-methylidenehexanamide
SMILESC=NC(=O)/C(=C/C)CCCC
InChIInChI=1S/C9H15NO/c1-4-6-7-8(5-2)9(11)10-3/h5H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyRQRKFOWVEXXFSD-VMPITWQZSA-N
MW153.22 g/mol
LogP2.35
Rot. Bonds4

About (2E)-2-ethylidene-N-methylidenehexanamide

(2E)-2-ethylidene-N-methylidenehexanamide (PubChem CID 129137077) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E)-2-ethylidene-N-methylidenehexanamide.

Molecular Properties

Compound Name(2E)-2-ethylidene-N-methylidenehexanamide
PubChem CID129137077
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E)-2-ethylidene-N-methylidenehexanamide
SMILESC=NC(=O)/C(=C/C)CCCC
InChIInChI=1S/C9H15NO/c1-4-6-7-8(5-2)9(11)10-3/h5H,3-4,6-7H2,1-2H3/b8-5+
InChIKeyRQRKFOWVEXXFSD-VMPITWQZSA-N
XLogP2.35
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,2,3,4,5,6-hexamethylidenedecanamide
CID 139561856
N-methylidenehexacosanamide
CID 89187174
(2Z)-2-ethylideneicosanoic acid
CID 130276561
N-methylidenedocosanamide
CID 175417802
prop-1-enyl 2-ethylidenehexanoate
CID 141345152
2-ethylideneoctadecanamide
CID 141119567
acetic acid;(2Z)-2-ethylideneheptanoic acid
CID 87790702
acetic acid;2-ethylideneheptanoic acid
CID 161103841
2-(hydroxymethylidene)hexanoic acid
CID 87593168
ethene;hexan-2-one
CID 88765599
N-[(Z)-4-oxopent-2-en-3-yl]pentanimidoyl chloride
CID 123627963
(E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid
CID 145057784

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-N-methylidenehexanamide?
The IUPAC name of (2E)-2-ethylidene-N-methylidenehexanamide (CID 129137077) is (2E)-2-ethylidene-N-methylidenehexanamide.
What is the SMILES notation for (2E)-2-ethylidene-N-methylidenehexanamide?
The canonical SMILES for (2E)-2-ethylidene-N-methylidenehexanamide is C=NC(=O)/C(=C/C)CCCC.
What is the InChIKey of (2E)-2-ethylidene-N-methylidenehexanamide?
The InChIKey is RQRKFOWVEXXFSD-VMPITWQZSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-6-7-8(5-2)9(11)10-3/h5H,3-4,6-7H2,1-2H3/b8-5+.
What are the key properties of (2E)-2-ethylidene-N-methylidenehexanamide?
(2E)-2-ethylidene-N-methylidenehexanamide has a molecular weight of 153.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-N-methylidenehexanamide is sourced from PubChem (CID 129137077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).