3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one

C14H15NO — CID 174636766

IUPAC3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one
SMILESNC=C1CCC(=O)C1C=Cc1ccccc1
InChIInChI=1S/C14H15NO/c15-10-12-7-9-14(16)13(12)8-6-11-4-2-1-3-5-11/h1-6,8,10,13H,7,9,15H2
InChIKeyDQLGBGJLTGPZBE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.52
Rot. Bonds2

About 3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one

3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one (PubChem CID 174636766) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one
PubChem CID174636766
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one
SMILESNC=C1CCC(=O)C1C=Cc1ccccc1
InChIInChI=1S/C14H15NO/c15-10-12-7-9-14(16)13(12)8-6-11-4-2-1-3-5-11/h1-6,8,10,13H,7,9,15H2
InChIKeyDQLGBGJLTGPZBE-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione
CID 57149375
(1S,6S)-7-[(E)-2-phenylethenyl]bicyclo[4.1.0]heptan-2-one
CID 134853669
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
3-[(E)-2-phenylethenyl]-1,3-dihydroindol-2-one
CID 102010173
3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one
CID 164896790
(4R)-4-(2-phenylethenyl)-1,3-oxazolidin-2-one
CID 69253686
2-[(E)-2-phenylethenyl]thiolane
CID 175715448
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
4-(2-phenylethenyl)pyrrolidin-2-one
CID 154016573
(1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide
CID 10421779

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one?
The IUPAC name of 3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one (CID 174636766) is 3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one.
What is the SMILES notation for 3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one?
The canonical SMILES for 3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one is NC=C1CCC(=O)C1C=Cc1ccccc1.
What is the InChIKey of 3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one?
The InChIKey is DQLGBGJLTGPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-10-12-7-9-14(16)13(12)8-6-11-4-2-1-3-5-11/h1-6,8,10,13H,7,9,15H2.
What are the key properties of 3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one?
3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one has a molecular weight of 213.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one is sourced from PubChem (CID 174636766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).