[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone

C15H20N2O — CID 69308615

IUPAC[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESNCc1cccc(C2(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C15H20N2O/c16-11-12-4-3-5-13(10-12)15(6-7-15)14(18)17-8-1-2-9-17/h3-5,10H,1-2,6-9,11,16H2
InChIKeyYHCRCVATCMPHCH-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.80
Rot. Bonds3

About [1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone

[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 69308615) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID69308615
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESNCc1cccc(C2(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C15H20N2O/c16-11-12-4-3-5-13(10-12)15(6-7-15)14(18)17-8-1-2-9-17/h3-5,10H,1-2,6-9,11,16H2
InChIKeyYHCRCVATCMPHCH-UHFFFAOYSA-N
XLogP1.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone (CID 69308615) is [1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone is NCc1cccc(C2(C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of [1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is YHCRCVATCMPHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-11-12-4-3-5-13(10-12)15(6-7-15)14(18)17-8-1-2-9-17/h3-5,10H,1-2,6-9,11,16H2.
What are the key properties of [1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone?
[1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 244.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(aminomethyl)phenyl]cyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 69308615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).