2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol

C11H21NO — CID 107899207

IUPAC2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol
SMILESC/C=C/CNC1CCCCCC1O
InChIInChI=1S/C11H21NO/c1-2-3-9-12-10-7-5-4-6-8-11(10)13/h2-3,10-13H,4-9H2,1H3/b3-2+
InChIKeyIVPJKNGOUNZPCN-NSCUHMNNSA-N
MW183.30 g/mol
LogP1.85
Rot. Bonds3

About 2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol

2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol (PubChem CID 107899207) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol
PubChem CID107899207
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Name2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol
SMILESC/C=C/CNC1CCCCCC1O
InChIInChI=1S/C11H21NO/c1-2-3-9-12-10-7-5-4-6-8-11(10)13/h2-3,10-13H,4-9H2,1H3/b3-2+
InChIKeyIVPJKNGOUNZPCN-NSCUHMNNSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.85
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-[[(E)-but-2-enyl]amino]cycloheptan-1-ol?
The IUPAC name of 2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol (CID 107899207) is 2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol.
What is the SMILES notation for 2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol?
The canonical SMILES for 2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol is C/C=C/CNC1CCCCCC1O.
What is the InChIKey of 2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol?
The InChIKey is IVPJKNGOUNZPCN-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-9-12-10-7-5-4-6-8-11(10)13/h2-3,10-13H,4-9H2,1H3/b3-2+.
What are the key properties of 2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol?
2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol has a molecular weight of 183.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enyl]amino]cycloheptan-1-ol is sourced from PubChem (CID 107899207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).