N-(1-methylcyclobutyl)pentalene-1-carboxamide

C14H15NO — CID 141293193

IUPACN-(1-methylcyclobutyl)pentalene-1-carboxamide
SMILESCC1(NC(=O)C2=CC=C3C=CC=C32)CCC1
InChIInChI=1S/C14H15NO/c1-14(8-3-9-14)15-13(16)12-7-6-10-4-2-5-11(10)12/h2,4-7H,3,8-9H2,1H3,(H,15,16)
InChIKeyIKRMLMIKVVJODS-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.41
Rot. Bonds2

About N-(1-methylcyclobutyl)pentalene-1-carboxamide

N-(1-methylcyclobutyl)pentalene-1-carboxamide (PubChem CID 141293193) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)pentalene-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)pentalene-1-carboxamide
PubChem CID141293193
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC NameN-(1-methylcyclobutyl)pentalene-1-carboxamide
SMILESCC1(NC(=O)C2=CC=C3C=CC=C32)CCC1
InChIInChI=1S/C14H15NO/c1-14(8-3-9-14)15-13(16)12-7-6-10-4-2-5-11(10)12/h2,4-7H,3,8-9H2,1H3,(H,15,16)
InChIKeyIKRMLMIKVVJODS-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-fluoro-2-methylpropan-2-yl)pentalene-1-carboxamide
CID 141292879
N-[1-(fluoromethyl)cyclobutyl]pentalene-1-carboxamide
CID 141293031
N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide
CID 141293234
N-[1-(fluoromethyl)cyclobutyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 158195101
N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide
CID 161038604
N-tert-butylcyclopenta-1,3-diene-1-carboxamide
CID 12173351
1,3-Cyclohexadiene-1-carboxylic acid t-butylamide
CID 53905999
N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123433989
N-tert-butylcyclobutene-1-carboxamide
CID 126994728
N-(1-methylcyclobutyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292831
N-(2-cyanopropan-2-yl)pentalene-1-carboxamide
CID 141292973
N-tert-butylpentalene-1-carboxamide
CID 141293001

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)pentalene-1-carboxamide?
The IUPAC name of N-(1-methylcyclobutyl)pentalene-1-carboxamide (CID 141293193) is N-(1-methylcyclobutyl)pentalene-1-carboxamide.
What is the SMILES notation for N-(1-methylcyclobutyl)pentalene-1-carboxamide?
The canonical SMILES for N-(1-methylcyclobutyl)pentalene-1-carboxamide is CC1(NC(=O)C2=CC=C3C=CC=C32)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)pentalene-1-carboxamide?
The InChIKey is IKRMLMIKVVJODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-14(8-3-9-14)15-13(16)12-7-6-10-4-2-5-11(10)12/h2,4-7H,3,8-9H2,1H3,(H,15,16).
What are the key properties of N-(1-methylcyclobutyl)pentalene-1-carboxamide?
N-(1-methylcyclobutyl)pentalene-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)pentalene-1-carboxamide is sourced from PubChem (CID 141293193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).