N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine

C10H15N — CID 177053862

IUPACN-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)C(C)CC1
InChIInChI=1S/C10H15N/c1-4-7-11-10-6-5-8(2)9(10)3/h4,7-8H,1,5-6H2,2-3H3/b11-7+
InChIKeyZVIXIPUUCLVLHI-YRNVUSSQSA-N
MW149.24 g/mol
LogP2.95
Rot. Bonds2

About N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine

N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine (PubChem CID 177053862) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine
PubChem CID177053862
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine
SMILESC=C/C=N/C1=C(C)C(C)CC1
InChIInChI=1S/C10H15N/c1-4-7-11-10-6-5-8(2)9(10)3/h4,7-8H,1,5-6H2,2-3H3/b11-7+
InChIKeyZVIXIPUUCLVLHI-YRNVUSSQSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-1-[(2Z)-penta-2,4-dien-2-yl]cyclopentene
CID 176703832
1-[(1E)-1-fluorobuta-1,3-dienyl]-2,3-dimethylcyclopentene
CID 169145908
1-[(1Z)-buta-1,3-dienyl]-2,3-dimethylcyclohexene
CID 144706581
1,2,3,6-tetramethylcyclohexene
CID 21243938
ethane;4-methyl-3-(prop-2-enylideneamino)-1,2-dihydropyrrol-5-one
CID 164865273
1-(2-bromo-2-chloroethenyl)-2,3-dimethylcyclopentene
CID 54431612
1-methyl-2-methylidenecyclobutane
CID 20800914
N-(6-methoxy-2,4-dimethylcyclohexa-1,5-dien-1-yl)prop-2-en-1-imine
CID 156873053
[(3R)-2,3-dimethylcyclopenten-1-yl]oxy-trimethylsilane
CID 99771342
(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
1,3-dimethyl-2-[(1Z)-penta-1,4-dienyl]cyclopentene
CID 163586300
(3S)-2,3-dimethyl-1-prop-1-en-2-ylcyclohexene
CID 170619549

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine?
The IUPAC name of N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine (CID 177053862) is N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine.
What is the SMILES notation for N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine?
The canonical SMILES for N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine is C=C/C=N/C1=C(C)C(C)CC1.
What is the InChIKey of N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine?
The InChIKey is ZVIXIPUUCLVLHI-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H15N/c1-4-7-11-10-6-5-8(2)9(10)3/h4,7-8H,1,5-6H2,2-3H3/b11-7+.
What are the key properties of N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine?
N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopenten-1-yl)prop-2-en-1-imine is sourced from PubChem (CID 177053862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).