N-cyclopropyl-3-pyrrol-1-ylpropanamide

C10H14N2O — CID 45106935

IUPACN-cyclopropyl-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NC1CC1
InChIInChI=1S/C10H14N2O/c13-10(11-9-3-4-9)5-8-12-6-1-2-7-12/h1-2,6-7,9H,3-5,8H2,(H,11,13)
InChIKeyIGZZSNMYNQSCTH-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.16
Rot. Bonds4

About N-cyclopropyl-3-pyrrol-1-ylpropanamide

N-cyclopropyl-3-pyrrol-1-ylpropanamide (PubChem CID 45106935) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-cyclopropyl-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-pyrrol-1-ylpropanamide
PubChem CID45106935
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-cyclopropyl-3-pyrrol-1-ylpropanamide
SMILESO=C(CCn1cccc1)NC1CC1
InChIInChI=1S/C10H14N2O/c13-10(11-9-3-4-9)5-8-12-6-1-2-7-12/h1-2,6-7,9H,3-5,8H2,(H,11,13)
InChIKeyIGZZSNMYNQSCTH-UHFFFAOYSA-N
XLogP1.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-pyrrol-1-ylpropanamide?
The IUPAC name of N-cyclopropyl-3-pyrrol-1-ylpropanamide (CID 45106935) is N-cyclopropyl-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-cyclopropyl-3-pyrrol-1-ylpropanamide?
The canonical SMILES for N-cyclopropyl-3-pyrrol-1-ylpropanamide is O=C(CCn1cccc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-pyrrol-1-ylpropanamide?
The InChIKey is IGZZSNMYNQSCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10(11-9-3-4-9)5-8-12-6-1-2-7-12/h1-2,6-7,9H,3-5,8H2,(H,11,13).
What are the key properties of N-cyclopropyl-3-pyrrol-1-ylpropanamide?
N-cyclopropyl-3-pyrrol-1-ylpropanamide has a molecular weight of 178.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 45106935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).