3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide

C14H19NO — CID 141406467

IUPAC3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide
SMILESCC(C(N)=O)=C(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C14H19NO/c1-10(14(15)16)13(11-6-2-3-7-11)12-8-4-5-9-12/h6,8H,2-5,7,9H2,1H3,(H2,15,16)
InChIKeyUIDJSALHNUCYJK-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.01
Rot. Bonds3

About 3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide

3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide (PubChem CID 141406467) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide
PubChem CID141406467
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide
SMILESCC(C(N)=O)=C(C1=CCCC1)C1=CCCC1
InChIInChI=1S/C14H19NO/c1-10(14(15)16)13(11-6-2-3-7-11)12-8-4-5-9-12/h6,8H,2-5,7,9H2,1H3,(H2,15,16)
InChIKeyUIDJSALHNUCYJK-UHFFFAOYSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(cyclohexen-1-yl)-4-oxobut-2-enoic acid
CID 67764066
3-(cyclopenten-1-yl)but-3-en-2-one
CID 130028502
cycloheptene-1-carboxamide
CID 22261654
cyclohexene-1-carboxamide;ethane;molecular hydrogen
CID 162375470
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
(2S)-2-bromo-1-(cyclopenten-1-yl)propan-1-one
CID 86337331
3,3-di(cyclodecyl)-2-(cyclodecylmethyl)prop-2-enoic acid;3,3-di(cyclopenten-1-yl)-2-methylprop-2-enoic acid
CID 174897693
N-(3-hydroxybutan-2-yl)cyclopentene-1-carboxamide
CID 130668502
cyclopenten-1-yl-(2-methylcyclopropyl)methanone
CID 62080123
hydroxymethyl cyclohexene-1-carboxylate
CID 91001163
1-[1-(cyclopenten-1-yl)prop-1-enyl]cyclopentene
CID 140988630

Frequently Asked Questions

What is the IUPAC name of 3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide?
The IUPAC name of 3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide (CID 141406467) is 3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide.
What is the SMILES notation for 3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide?
The canonical SMILES for 3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide is CC(C(N)=O)=C(C1=CCCC1)C1=CCCC1.
What is the InChIKey of 3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide?
The InChIKey is UIDJSALHNUCYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(14(15)16)13(11-6-2-3-7-11)12-8-4-5-9-12/h6,8H,2-5,7,9H2,1H3,(H2,15,16).
What are the key properties of 3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide?
3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide has a molecular weight of 217.31 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-di(cyclopenten-1-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 141406467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).