3-(3-phenylprop-2-enylamino)cyclobutan-1-ol

C13H17NO — CID 77109911

IUPAC3-(3-phenylprop-2-enylamino)cyclobutan-1-ol
SMILESOC1CC(NCC=Cc2ccccc2)C1
InChIInChI=1S/C13H17NO/c15-13-9-12(10-13)14-8-4-7-11-5-2-1-3-6-11/h1-7,12-15H,8-10H2
InChIKeySKFKKFZRZUEESE-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.81
Rot. Bonds4

About 3-(3-phenylprop-2-enylamino)cyclobutan-1-ol

3-(3-phenylprop-2-enylamino)cyclobutan-1-ol (PubChem CID 77109911) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(3-phenylprop-2-enylamino)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(3-phenylprop-2-enylamino)cyclobutan-1-ol
PubChem CID77109911
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-(3-phenylprop-2-enylamino)cyclobutan-1-ol
SMILESOC1CC(NCC=Cc2ccccc2)C1
InChIInChI=1S/C13H17NO/c15-13-9-12(10-13)14-8-4-7-11-5-2-1-3-6-11/h1-7,12-15H,8-10H2
InChIKeySKFKKFZRZUEESE-UHFFFAOYSA-N
XLogP1.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(3-phenylprop-2-enyl)cyclopropan-1-amine
CID 76942803
N-[(E)-3-phenylprop-2-enyl]cyclopent-3-en-1-amine
CID 115696545
1-methyl-4-[[(E)-3-phenylprop-2-enyl]amino]cyclohexan-1-ol
CID 142884549
2-[ethyl-[3-[[(E)-3-phenylprop-2-enyl]amino]cyclobutyl]amino]acetic acid
CID 122042058
2,3-dimethyl-N-(3-phenylprop-2-enyl)cyclopentan-1-amine
CID 77050165
4-[[(E)-3-phenylprop-2-enyl]amino]pyrrolidin-2-one
CID 106189539
N-[3-(3-phenoxyphenyl)prop-2-enyl]cyclopropanamine
CID 79347941
1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 115615391
3-methyl-N-[(E)-3-phenylprop-2-enyl]but-2-en-1-amine
CID 103527857
N-[(E)-3-phenylprop-2-enyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 56823418
cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone
CID 71927484
(1S)-N-[(E)-3-phenylprop-2-enyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 7202032

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylprop-2-enylamino)cyclobutan-1-ol?
The IUPAC name of 3-(3-phenylprop-2-enylamino)cyclobutan-1-ol (CID 77109911) is 3-(3-phenylprop-2-enylamino)cyclobutan-1-ol.
What is the SMILES notation for 3-(3-phenylprop-2-enylamino)cyclobutan-1-ol?
The canonical SMILES for 3-(3-phenylprop-2-enylamino)cyclobutan-1-ol is OC1CC(NCC=Cc2ccccc2)C1.
What is the InChIKey of 3-(3-phenylprop-2-enylamino)cyclobutan-1-ol?
The InChIKey is SKFKKFZRZUEESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13-9-12(10-13)14-8-4-7-11-5-2-1-3-6-11/h1-7,12-15H,8-10H2.
What are the key properties of 3-(3-phenylprop-2-enylamino)cyclobutan-1-ol?
3-(3-phenylprop-2-enylamino)cyclobutan-1-ol has a molecular weight of 203.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylprop-2-enylamino)cyclobutan-1-ol is sourced from PubChem (CID 77109911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).