1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

C16H23N3O — CID 65465775

IUPAC1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C16H23N3O/c17-16(8-9-16)15(20)18-12-14(19-10-4-5-11-19)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2,(H,18,20)
InChIKeyMRESEMZIALFOIL-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.43
Rot. Bonds5

About 1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 65465775) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID65465775
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C16H23N3O/c17-16(8-9-16)15(20)18-12-14(19-10-4-5-11-19)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2,(H,18,20)
InChIKeyMRESEMZIALFOIL-UHFFFAOYSA-N
XLogP1.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (CID 65465775) is 1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is NC1(C(=O)NCC(c2ccccc2)N2CCCC2)CC1.
What is the InChIKey of 1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is MRESEMZIALFOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-16(8-9-16)15(20)18-12-14(19-10-4-5-11-19)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,17H2,(H,18,20).
What are the key properties of 1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 65465775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).