N-[3-(3H-pyrrol-3-yl)propyl]propanamide

C10H16N2O — CID 142069992

IUPACN-[3-(3H-pyrrol-3-yl)propyl]propanamide
SMILESCCC(=O)NCCCC1C=CN=C1
InChIInChI=1S/C10H16N2O/c1-2-10(13)12-6-3-4-9-5-7-11-8-9/h5,7-9H,2-4,6H2,1H3,(H,12,13)
InChIKeyMVAFBOOIGGUOBC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(3H-pyrrol-3-yl)propyl]propanamide

N-[3-(3H-pyrrol-3-yl)propyl]propanamide (PubChem CID 142069992) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-[3-(3H-pyrrol-3-yl)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(3H-pyrrol-3-yl)propyl]propanamide
PubChem CID142069992
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-[3-(3H-pyrrol-3-yl)propyl]propanamide
SMILESCCC(=O)NCCCC1C=CN=C1
InChIInChI=1S/C10H16N2O/c1-2-10(13)12-6-3-4-9-5-7-11-8-9/h5,7-9H,2-4,6H2,1H3,(H,12,13)
InChIKeyMVAFBOOIGGUOBC-UHFFFAOYSA-N
XLogP1.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3H-pyrrol-3-yl)propyl]propanamide?
The IUPAC name of N-[3-(3H-pyrrol-3-yl)propyl]propanamide (CID 142069992) is N-[3-(3H-pyrrol-3-yl)propyl]propanamide.
What is the SMILES notation for N-[3-(3H-pyrrol-3-yl)propyl]propanamide?
The canonical SMILES for N-[3-(3H-pyrrol-3-yl)propyl]propanamide is CCC(=O)NCCCC1C=CN=C1.
What is the InChIKey of N-[3-(3H-pyrrol-3-yl)propyl]propanamide?
The InChIKey is MVAFBOOIGGUOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-10(13)12-6-3-4-9-5-7-11-8-9/h5,7-9H,2-4,6H2,1H3,(H,12,13).
What are the key properties of N-[3-(3H-pyrrol-3-yl)propyl]propanamide?
N-[3-(3H-pyrrol-3-yl)propyl]propanamide has a molecular weight of 180.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3H-pyrrol-3-yl)propyl]propanamide is sourced from PubChem (CID 142069992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).