2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol

C15H21NO — CID 115328361

IUPAC2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol
SMILESC=C(CNCC1CCCC1O)c1ccccc1
InChIInChI=1S/C15H21NO/c1-12(13-6-3-2-4-7-13)10-16-11-14-8-5-9-15(14)17/h2-4,6-7,14-17H,1,5,8-11H2
InChIKeyBVHPEQOQKKQJOH-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.45
Rot. Bonds5

About 2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol

2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol (PubChem CID 115328361) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol
PubChem CID115328361
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol
SMILESC=C(CNCC1CCCC1O)c1ccccc1
InChIInChI=1S/C15H21NO/c1-12(13-6-3-2-4-7-13)10-16-11-14-8-5-9-15(14)17/h2-4,6-7,14-17H,1,5,8-11H2
InChIKeyBVHPEQOQKKQJOH-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol (CID 115328361) is 2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol is C=C(CNCC1CCCC1O)c1ccccc1.
What is the InChIKey of 2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol?
The InChIKey is BVHPEQOQKKQJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(13-6-3-2-4-7-13)10-16-11-14-8-5-9-15(14)17/h2-4,6-7,14-17H,1,5,8-11H2.
What are the key properties of 2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol?
2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylprop-2-enylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 115328361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).