2-methylidene-N-propan-2-ylhex-5-enamide

C10H17NO — CID 14418381

IUPAC2-methylidene-N-propan-2-ylhex-5-enamide
SMILESC=CCCC(=C)C(=O)NC(C)C
InChIInChI=1S/C10H17NO/c1-5-6-7-9(4)10(12)11-8(2)3/h5,8H,1,4,6-7H2,2-3H3,(H,11,12)
InChIKeyZUHXRJFNYIUUFO-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.03
Rot. Bonds5

About 2-methylidene-N-propan-2-ylhex-5-enamide

2-methylidene-N-propan-2-ylhex-5-enamide (PubChem CID 14418381) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methylidene-N-propan-2-ylhex-5-enamide.

Molecular Properties

Compound Name2-methylidene-N-propan-2-ylhex-5-enamide
PubChem CID14418381
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methylidene-N-propan-2-ylhex-5-enamide
SMILESC=CCCC(=C)C(=O)NC(C)C
InChIInChI=1S/C10H17NO/c1-5-6-7-9(4)10(12)11-8(2)3/h5,8H,1,4,6-7H2,2-3H3,(H,11,12)
InChIKeyZUHXRJFNYIUUFO-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methylidenehex-5-enoate
CID 12706152
1-(propan-2-ylamino)hex-5-en-2-one
CID 116554839
2-methoxy-N-propan-2-ylprop-2-enamide
CID 13399116
3-(pent-4-enoylamino)butanoic acid
CID 62683470
N-[(2R)-1-aminopropan-2-yl]pent-4-enamide
CID 104872907
[(2R)-2-(pent-4-enoylamino)propyl] pent-4-enoate
CID 6709762
ethyl 2-methylidenehex-5-enoate
CID 10855685
2,3-dimethyloct-7-en-4-one
CID 114974911
3-(hept-6-enylamino)-N-propan-2-ylpropanamide
CID 107007090
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
3-amino-2-methylnon-8-en-4-one
CID 116549029
butan-2-yl pent-4-enoate
CID 58193499

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-N-propan-2-ylhex-5-enamide?
The IUPAC name of 2-methylidene-N-propan-2-ylhex-5-enamide (CID 14418381) is 2-methylidene-N-propan-2-ylhex-5-enamide.
What is the SMILES notation for 2-methylidene-N-propan-2-ylhex-5-enamide?
The canonical SMILES for 2-methylidene-N-propan-2-ylhex-5-enamide is C=CCCC(=C)C(=O)NC(C)C.
What is the InChIKey of 2-methylidene-N-propan-2-ylhex-5-enamide?
The InChIKey is ZUHXRJFNYIUUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-6-7-9(4)10(12)11-8(2)3/h5,8H,1,4,6-7H2,2-3H3,(H,11,12).
What are the key properties of 2-methylidene-N-propan-2-ylhex-5-enamide?
2-methylidene-N-propan-2-ylhex-5-enamide has a molecular weight of 167.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-N-propan-2-ylhex-5-enamide is sourced from PubChem (CID 14418381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).