1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate

C17H20N2O2 — CID 146183709

IUPAC1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate
SMILESNc1ccc(C2=CCCC2)cc1NC(=O)OCC12CC1C2
InChIInChI=1S/C17H20N2O2/c18-14-6-5-12(11-3-1-2-4-11)7-15(14)19-16(20)21-10-17-8-13(17)9-17/h3,5-7,13H,1-2,4,8-10,18H2,(H,19,20)
InChIKeyZKEKVSSTIVKERB-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.79
Rot. Bonds4

About 1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate

1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate (PubChem CID 146183709) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate.

Molecular Properties

Compound Name1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate
PubChem CID146183709
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate
SMILESNc1ccc(C2=CCCC2)cc1NC(=O)OCC12CC1C2
InChIInChI=1S/C17H20N2O2/c18-14-6-5-12(11-3-1-2-4-11)7-15(14)19-16(20)21-10-17-8-13(17)9-17/h3,5-7,13H,1-2,4,8-10,18H2,(H,19,20)
InChIKeyZKEKVSSTIVKERB-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate?
The IUPAC name of 1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate (CID 146183709) is 1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate.
What is the SMILES notation for 1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate?
The canonical SMILES for 1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate is Nc1ccc(C2=CCCC2)cc1NC(=O)OCC12CC1C2.
What is the InChIKey of 1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate?
The InChIKey is ZKEKVSSTIVKERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-14-6-5-12(11-3-1-2-4-11)7-15(14)19-16(20)21-10-17-8-13(17)9-17/h3,5-7,13H,1-2,4,8-10,18H2,(H,19,20).
What are the key properties of 1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate?
1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate has a molecular weight of 284.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.0]butanylmethyl N-[2-amino-5-(cyclopenten-1-yl)phenyl]carbamate is sourced from PubChem (CID 146183709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).