2-(prop-2-enylamino)cycloheptan-1-ol

C10H19NO — CID 60902348

IUPAC2-(prop-2-enylamino)cycloheptan-1-ol
SMILESC=CCNC1CCCCCC1O
InChIInChI=1S/C10H19NO/c1-2-8-11-9-6-4-3-5-7-10(9)12/h2,9-12H,1,3-8H2
InChIKeyDURWXYBUPQKWJM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds3

About 2-(prop-2-enylamino)cycloheptan-1-ol

2-(prop-2-enylamino)cycloheptan-1-ol (PubChem CID 60902348) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(prop-2-enylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(prop-2-enylamino)cycloheptan-1-ol
PubChem CID60902348
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(prop-2-enylamino)cycloheptan-1-ol
SMILESC=CCNC1CCCCCC1O
InChIInChI=1S/C10H19NO/c1-2-8-11-9-6-4-3-5-7-10(9)12/h2,9-12H,1,3-8H2
InChIKeyDURWXYBUPQKWJM-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)cycloheptan-1-ol?
The IUPAC name of 2-(prop-2-enylamino)cycloheptan-1-ol (CID 60902348) is 2-(prop-2-enylamino)cycloheptan-1-ol.
What is the SMILES notation for 2-(prop-2-enylamino)cycloheptan-1-ol?
The canonical SMILES for 2-(prop-2-enylamino)cycloheptan-1-ol is C=CCNC1CCCCCC1O.
What is the InChIKey of 2-(prop-2-enylamino)cycloheptan-1-ol?
The InChIKey is DURWXYBUPQKWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-8-11-9-6-4-3-5-7-10(9)12/h2,9-12H,1,3-8H2.
What are the key properties of 2-(prop-2-enylamino)cycloheptan-1-ol?
2-(prop-2-enylamino)cycloheptan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)cycloheptan-1-ol is sourced from PubChem (CID 60902348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).