4-(2-methylprop-1-enyl)azepan-4-ol

C10H19NO — CID 103982986

IUPAC4-(2-methylprop-1-enyl)azepan-4-ol
SMILESCC(C)=CC1(O)CCCNCC1
InChIInChI=1S/C10H19NO/c1-9(2)8-10(12)4-3-6-11-7-5-10/h8,11-12H,3-7H2,1-2H3
InChIKeyVFKAOSQBAUBMNR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds1

About 4-(2-methylprop-1-enyl)azepan-4-ol

4-(2-methylprop-1-enyl)azepan-4-ol (PubChem CID 103982986) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(2-methylprop-1-enyl)azepan-4-ol.

Molecular Properties

Compound Name4-(2-methylprop-1-enyl)azepan-4-ol
PubChem CID103982986
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(2-methylprop-1-enyl)azepan-4-ol
SMILESCC(C)=CC1(O)CCCNCC1
InChIInChI=1S/C10H19NO/c1-9(2)8-10(12)4-3-6-11-7-5-10/h8,11-12H,3-7H2,1-2H3
InChIKeyVFKAOSQBAUBMNR-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,4E)-6-(azepan-4-yl)-3-ethylidene-4,5-dimethylhexa-1,4-dien-2-ol
CID 126639576
4-[(3Z,5E)-5-chlorohepta-1,3,5-trien-2-yl]azepan-4-ol
CID 134414222
(4Z)-4-(azepan-4-ylidene)-2-methylbutan-2-ol
CID 166706406
(E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol
CID 166880542
1-[3-(Butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 10400546
(5R)-1-[3-(butylamino)prop-1-en-2-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 14964967
4-(2-Methylprop-1-enyl)-1-propylazepan-4-ol
CID 79189481
4-(2-Methylprop-1-enyl)-1-propan-2-ylazepan-4-ol
CID 79189587
1-Methyl-4-(2-methylprop-1-enyl)azepan-4-ol
CID 79191015
1-Ethyl-4-(2-methylprop-1-enyl)azepan-4-ol
CID 79191122
4-Ethenylazepan-4-ol
CID 103982942
4-Prop-1-en-2-ylazepan-4-ol
CID 103983005

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-1-enyl)azepan-4-ol?
The IUPAC name of 4-(2-methylprop-1-enyl)azepan-4-ol (CID 103982986) is 4-(2-methylprop-1-enyl)azepan-4-ol.
What is the SMILES notation for 4-(2-methylprop-1-enyl)azepan-4-ol?
The canonical SMILES for 4-(2-methylprop-1-enyl)azepan-4-ol is CC(C)=CC1(O)CCCNCC1.
What is the InChIKey of 4-(2-methylprop-1-enyl)azepan-4-ol?
The InChIKey is VFKAOSQBAUBMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)8-10(12)4-3-6-11-7-5-10/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 4-(2-methylprop-1-enyl)azepan-4-ol?
4-(2-methylprop-1-enyl)azepan-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylprop-1-enyl)azepan-4-ol is sourced from PubChem (CID 103982986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).