cyclopentylmethylbenzene;formamide

C13H19NO — CID 174870384

IUPACcyclopentylmethylbenzene;formamide
SMILESNC=O.c1ccc(CC2CCCC2)cc1
InChIInChI=1S/C12H16.CH3NO/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;2-1-3/h1-3,6-7,12H,4-5,8-10H2;1H,(H2,2,3)
InChIKeyXQYMAZZLULSVIS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds2

About cyclopentylmethylbenzene;formamide

cyclopentylmethylbenzene;formamide (PubChem CID 174870384) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is cyclopentylmethylbenzene;formamide.

Molecular Properties

Compound Namecyclopentylmethylbenzene;formamide
PubChem CID174870384
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Namecyclopentylmethylbenzene;formamide
SMILESNC=O.c1ccc(CC2CCCC2)cc1
InChIInChI=1S/C12H16.CH3NO/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;2-1-3/h1-3,6-7,12H,4-5,8-10H2;1H,(H2,2,3)
InChIKeyXQYMAZZLULSVIS-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butane;cyclopentylmethylbenzene
CID 143522605
6-benzylcyclodecan-1-one
CID 22319830
1,3-dibenzylcyclooctane
CID 3045388
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
4-benzylcycloheptan-1-one
CID 57223081
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
(3R)-3-benzylcyclohexan-1-amine
CID 168960646
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
cyclopropylmethylbenzene;ethane;methane
CID 142248267
6-benzyl-2,3-dihydroxycyclodecan-1-one
CID 22319895
5-benzyldiazepane
CID 154443129
4-benzylphosphinane
CID 130251660

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethylbenzene;formamide?
The IUPAC name of cyclopentylmethylbenzene;formamide (CID 174870384) is cyclopentylmethylbenzene;formamide.
What is the SMILES notation for cyclopentylmethylbenzene;formamide?
The canonical SMILES for cyclopentylmethylbenzene;formamide is NC=O.c1ccc(CC2CCCC2)cc1.
What is the InChIKey of cyclopentylmethylbenzene;formamide?
The InChIKey is XQYMAZZLULSVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16.CH3NO/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;2-1-3/h1-3,6-7,12H,4-5,8-10H2;1H,(H2,2,3).
What are the key properties of cyclopentylmethylbenzene;formamide?
cyclopentylmethylbenzene;formamide has a molecular weight of 205.30 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethylbenzene;formamide is sourced from PubChem (CID 174870384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).