butyl N-(1-formylcyclopentyl)carbamate

C11H19NO3 — CID 87815678

IUPACbutyl N-(1-formylcyclopentyl)carbamate
SMILESCCCCOC(=O)NC1(C=O)CCCC1
InChIInChI=1S/C11H19NO3/c1-2-3-8-15-10(14)12-11(9-13)6-4-5-7-11/h9H,2-8H2,1H3,(H,12,14)
InChIKeySUYLPXDCCWFWFQ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.02
Rot. Bonds5

About butyl N-(1-formylcyclopentyl)carbamate

butyl N-(1-formylcyclopentyl)carbamate (PubChem CID 87815678) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is butyl N-(1-formylcyclopentyl)carbamate.

Molecular Properties

Compound Namebutyl N-(1-formylcyclopentyl)carbamate
PubChem CID87815678
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namebutyl N-(1-formylcyclopentyl)carbamate
SMILESCCCCOC(=O)NC1(C=O)CCCC1
InChIInChI=1S/C11H19NO3/c1-2-3-8-15-10(14)12-11(9-13)6-4-5-7-11/h9H,2-8H2,1H3,(H,12,14)
InChIKeySUYLPXDCCWFWFQ-UHFFFAOYSA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

decyl 1-(butoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728459
nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734591
heptyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734431
octyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734443
hexyl N-(1,2,2-trimethylcyclohexyl)carbamate
CID 141284658
undecyl 1-(propoxycarbonylamino)cyclopentane-1-carboxylate
CID 91725486
methyl 4-(butoxycarbonylamino)bicyclo[2.2.1]heptane-1-carboxylate
CID 176774636
butyl N-[(1S)-1-(1-hydroxycyclopentyl)ethyl]carbamate
CID 175766081
pentadecyl 1-(2-chloroethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91730534
pentadecyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722475
nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722454
dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728465

Frequently Asked Questions

What is the IUPAC name of butyl N-(1-formylcyclopentyl)carbamate?
The IUPAC name of butyl N-(1-formylcyclopentyl)carbamate (CID 87815678) is butyl N-(1-formylcyclopentyl)carbamate.
What is the SMILES notation for butyl N-(1-formylcyclopentyl)carbamate?
The canonical SMILES for butyl N-(1-formylcyclopentyl)carbamate is CCCCOC(=O)NC1(C=O)CCCC1.
What is the InChIKey of butyl N-(1-formylcyclopentyl)carbamate?
The InChIKey is SUYLPXDCCWFWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-8-15-10(14)12-11(9-13)6-4-5-7-11/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of butyl N-(1-formylcyclopentyl)carbamate?
butyl N-(1-formylcyclopentyl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(1-formylcyclopentyl)carbamate is sourced from PubChem (CID 87815678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).