(Z)-3-iminodec-7-en-2-one

C10H17NO — CID 88953848

IUPAC(Z)-3-iminodec-7-en-2-one
SMILES[H]/N=C(\CCC/C=C\CC)C(C)=O
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-8-10(11)9(2)12/h4-5,11H,3,6-8H2,1-2H3/b5-4-,11-10+
InChIKeyDLBVRKAMWMFTCE-JWPKELMXSA-N
MW167.25 g/mol
LogP2.73
Rot. Bonds6

About (Z)-3-iminodec-7-en-2-one

(Z)-3-iminodec-7-en-2-one (PubChem CID 88953848) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-3-iminodec-7-en-2-one.

Molecular Properties

Compound Name(Z)-3-iminodec-7-en-2-one
PubChem CID88953848
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-3-iminodec-7-en-2-one
SMILES[H]/N=C(\CCC/C=C\CC)C(C)=O
InChIInChI=1S/C10H17NO/c1-3-4-5-6-7-8-10(11)9(2)12/h4-5,11H,3,6-8H2,1-2H3/b5-4-,11-10+
InChIKeyDLBVRKAMWMFTCE-JWPKELMXSA-N
XLogP2.73
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-non-6-en-2-one
CID 11105450
icosa-5,8,11,14,17-pentaenamide
CID 160981167
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
diethyl-bis[[[(E)-oct-5-enoyl]amino]methyl]azanium
CID 102117912
octadec-15-enamide
CID 54276805
acetic acid;(Z)-dec-3-ene
CID 174912778
(6E,8E)-undeca-6,8-dien-2-one
CID 91753286
icosa-4,11,17-trienoic acid
CID 159256769
tricosa-5,8,11,14,17,20-hexaenoyl tricosa-5,8,11,14,17,20-hexaenoate
CID 154134674
(5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
CID 90031560
N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
CID 140637385
hexadec-13-ene-2,6-dione
CID 141028484

Frequently Asked Questions

What is the IUPAC name of (Z)-3-iminodec-7-en-2-one?
The IUPAC name of (Z)-3-iminodec-7-en-2-one (CID 88953848) is (Z)-3-iminodec-7-en-2-one.
What is the SMILES notation for (Z)-3-iminodec-7-en-2-one?
The canonical SMILES for (Z)-3-iminodec-7-en-2-one is [H]/N=C(\CCC/C=C\CC)C(C)=O.
What is the InChIKey of (Z)-3-iminodec-7-en-2-one?
The InChIKey is DLBVRKAMWMFTCE-JWPKELMXSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-4-5-6-7-8-10(11)9(2)12/h4-5,11H,3,6-8H2,1-2H3/b5-4-,11-10+.
What are the key properties of (Z)-3-iminodec-7-en-2-one?
(Z)-3-iminodec-7-en-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iminodec-7-en-2-one is sourced from PubChem (CID 88953848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).