3-(1H-pyrrol-3-yl)propanamide

C7H10N2O — CID 10129992

IUPAC3-(1H-pyrrol-3-yl)propanamide
SMILESNC(=O)CCc1cc[nH]c1
InChIInChI=1S/C7H10N2O/c8-7(10)2-1-6-3-4-9-5-6/h3-5,9H,1-2H2,(H2,8,10)
InChIKeyTWGRVIPCCGRSNM-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.43
Rot. Bonds3

About 3-(1H-pyrrol-3-yl)propanamide

3-(1H-pyrrol-3-yl)propanamide (PubChem CID 10129992) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-(1H-pyrrol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1H-pyrrol-3-yl)propanamide
PubChem CID10129992
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-(1H-pyrrol-3-yl)propanamide
SMILESNC(=O)CCc1cc[nH]c1
InChIInChI=1S/C7H10N2O/c8-7(10)2-1-6-3-4-9-5-6/h3-5,9H,1-2H2,(H2,8,10)
InChIKeyTWGRVIPCCGRSNM-UHFFFAOYSA-N
XLogP0.43
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1H-pyrrole
CID 258383
1-(1H-pyrrol-3-yl)propan-2-amine
CID 13437356
4-(3-Pyridinyl)-2-pyrrolidinone
CID 49657890
4-(3-Pyrrolyl)butyric acid
CID 255668
3-(1H-Pyrrol-3-yl)-propionic acid
CID 22135411
3-isopropyl-1H-pyrrole
CID 13165124
1H-Pyrrole, 3-propyl-
CID 137076
2-amino-3-(1H-pyrrol-3-yl)propanoic acid
CID 14577890
1-(1H-pyrrol-3-yl)ethan-1-amine
CID 58629066
2-(1H-pyrrol-3-yl)ethan-1-amine
CID 13437354
[1-(1H-pyrrol-3-yl)ethylideneamino] hexanoate
CID 2800139
[(E)-1-(1H-pyrrol-3-yl)ethylideneamino] hexanoate
CID 135445568

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-3-yl)propanamide?
The IUPAC name of 3-(1H-pyrrol-3-yl)propanamide (CID 10129992) is 3-(1H-pyrrol-3-yl)propanamide.
What is the SMILES notation for 3-(1H-pyrrol-3-yl)propanamide?
The canonical SMILES for 3-(1H-pyrrol-3-yl)propanamide is NC(=O)CCc1cc[nH]c1.
What is the InChIKey of 3-(1H-pyrrol-3-yl)propanamide?
The InChIKey is TWGRVIPCCGRSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-7(10)2-1-6-3-4-9-5-6/h3-5,9H,1-2H2,(H2,8,10).
What are the key properties of 3-(1H-pyrrol-3-yl)propanamide?
3-(1H-pyrrol-3-yl)propanamide has a molecular weight of 138.17 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-3-yl)propanamide is sourced from PubChem (CID 10129992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).