(1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol

C10H19NO — CID 103971431

IUPAC(1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCCN(C)CC1
InChIInChI=1S/C10H19NO/c1-9(12)8-10-4-3-6-11(2)7-5-10/h8-9,12H,3-7H2,1-2H3/b10-8-
InChIKeyXNSHBHFDOPSHRC-NTMALXAHSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds1

About (1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol

(1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol (PubChem CID 103971431) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol.

Molecular Properties

Compound Name(1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol
PubChem CID103971431
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CCCN(C)CC1
InChIInChI=1S/C10H19NO/c1-9(12)8-10-4-3-6-11(2)7-5-10/h8-9,12H,3-7H2,1-2H3/b10-8-
InChIKeyXNSHBHFDOPSHRC-NTMALXAHSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol?
The IUPAC name of (1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol (CID 103971431) is (1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol.
What is the SMILES notation for (1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol?
The canonical SMILES for (1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol is CC(O)/C=C1/CCCN(C)CC1.
What is the InChIKey of (1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol?
The InChIKey is XNSHBHFDOPSHRC-NTMALXAHSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(12)8-10-4-3-6-11(2)7-5-10/h8-9,12H,3-7H2,1-2H3/b10-8-.
What are the key properties of (1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol?
(1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1-methylazepan-4-ylidene)propan-2-ol is sourced from PubChem (CID 103971431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).