(Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one

C10H17NO — CID 168979824

IUPAC(Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one
SMILESC/C=C(C)\C(=N/C)C(=O)C(C)C
InChIInChI=1S/C10H17NO/c1-6-8(4)9(11-5)10(12)7(2)3/h6-7H,1-5H3/b8-6-,11-9+
InChIKeyKAFFDHCPQQBXLJ-ZOEDNYEGSA-N
MW167.25 g/mol
LogP2.25
Rot. Bonds3

About (Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one

(Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one (PubChem CID 168979824) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one.

Molecular Properties

Compound Name(Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one
PubChem CID168979824
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one
SMILESC/C=C(C)\C(=N/C)C(=O)C(C)C
InChIInChI=1S/C10H17NO/c1-6-8(4)9(11-5)10(12)7(2)3/h6-7H,1-5H3/b8-6-,11-9+
InChIKeyKAFFDHCPQQBXLJ-ZOEDNYEGSA-N
XLogP2.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one?
The IUPAC name of (Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one (CID 168979824) is (Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one.
What is the SMILES notation for (Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one?
The canonical SMILES for (Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one is C/C=C(C)\C(=N/C)C(=O)C(C)C.
What is the InChIKey of (Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one?
The InChIKey is KAFFDHCPQQBXLJ-ZOEDNYEGSA-N. The full InChI is InChI=1S/C10H17NO/c1-6-8(4)9(11-5)10(12)7(2)3/h6-7H,1-5H3/b8-6-,11-9+.
What are the key properties of (Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one?
(Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one has a molecular weight of 167.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,5-dimethyl-4-methyliminohept-5-en-3-one is sourced from PubChem (CID 168979824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).