(Z)-1-(propan-2-ylamino)hept-1-en-3-one

C10H19NO — CID 51357621

IUPAC(Z)-1-(propan-2-ylamino)hept-1-en-3-one
SMILESCCCCC(=O)/C=C\NC(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-10(12)7-8-11-9(2)3/h7-9,11H,4-6H2,1-3H3/b8-7-
InChIKeyGFEZQKWFNXHSQK-FPLPWBNLSA-N
MW169.27 g/mol
LogP2.26
Rot. Bonds6

About (Z)-1-(propan-2-ylamino)hept-1-en-3-one

(Z)-1-(propan-2-ylamino)hept-1-en-3-one (PubChem CID 51357621) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-1-(propan-2-ylamino)hept-1-en-3-one.

Molecular Properties

Compound Name(Z)-1-(propan-2-ylamino)hept-1-en-3-one
PubChem CID51357621
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-1-(propan-2-ylamino)hept-1-en-3-one
SMILESCCCCC(=O)/C=C\NC(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-10(12)7-8-11-9(2)3/h7-9,11H,4-6H2,1-3H3/b8-7-
InChIKeyGFEZQKWFNXHSQK-FPLPWBNLSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(propan-2-ylamino)hept-1-en-3-one?
The IUPAC name of (Z)-1-(propan-2-ylamino)hept-1-en-3-one (CID 51357621) is (Z)-1-(propan-2-ylamino)hept-1-en-3-one.
What is the SMILES notation for (Z)-1-(propan-2-ylamino)hept-1-en-3-one?
The canonical SMILES for (Z)-1-(propan-2-ylamino)hept-1-en-3-one is CCCCC(=O)/C=C\NC(C)C.
What is the InChIKey of (Z)-1-(propan-2-ylamino)hept-1-en-3-one?
The InChIKey is GFEZQKWFNXHSQK-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-10(12)7-8-11-9(2)3/h7-9,11H,4-6H2,1-3H3/b8-7-.
What are the key properties of (Z)-1-(propan-2-ylamino)hept-1-en-3-one?
(Z)-1-(propan-2-ylamino)hept-1-en-3-one has a molecular weight of 169.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(propan-2-ylamino)hept-1-en-3-one is sourced from PubChem (CID 51357621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).