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

C10H18N2O — CID 142069991

IUPACmolecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide
SMILESCCC(=O)NCCCC1C=CN=C1.[H][H]
InChIInChI=1S/C10H16N2O.H2/c1-2-10(13)12-6-3-4-9-5-7-11-8-9;/h5,7-9H,2-4,6H2,1H3,(H,12,13);1H
InChIKeyMTWHDAHQPGOJSS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.75
Rot. Bonds5

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

molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide (PubChem CID 142069991) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide
PubChem CID142069991
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Namemolecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide
SMILESCCC(=O)NCCCC1C=CN=C1.[H][H]
InChIInChI=1S/C10H16N2O.H2/c1-2-10(13)12-6-3-4-9-5-7-11-8-9;/h5,7-9H,2-4,6H2,1H3,(H,12,13);1H
InChIKeyMTWHDAHQPGOJSS-UHFFFAOYSA-N
XLogP1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3H-pyrrol-4-yl)ethyl]butanamide
CID 59561910
N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide
CID 66665544
N-prop-2-enyl-3,4-dihydropyridine-3-carboxamide
CID 69327971
N-propan-2-yl-3,4-dihydropyridine-3-carboxamide
CID 69528979
N-[2-(4-methyl-3H-pyridin-4-yl)ethyl]acetamide
CID 70285295
N-[3-(dimethylamino)propyl]-4-ethyl-6-(ethylideneamino)hex-5-enamide
CID 91167570
N-butyl-3,4-dihydropyridine-3-carboxamide
CID 130218186
N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide
CID 134570627
2-(3,4-Dihydropyridin-4-yl)-1-(2-methyl-1,2-dihydroimidazol-3-yl)propan-1-one
CID 142047984
N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide
CID 144507815
N-(3,4-dihydropyridin-4-ylmethyl)acetamide
CID 153184611
N-[2-(3H-pyrrol-4-yl)ethyl]propanamide
CID 159709332

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide?
The IUPAC name of molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide (CID 142069991) is molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide.
What is the SMILES notation for molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide?
The canonical SMILES for molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide is CCC(=O)NCCCC1C=CN=C1.[H][H].
What is the InChIKey of molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide?
The InChIKey is MTWHDAHQPGOJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.H2/c1-2-10(13)12-6-3-4-9-5-7-11-8-9;/h5,7-9H,2-4,6H2,1H3,(H,12,13);1H.
What are the key properties of molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide?
molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide has a molecular weight of 182.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide is sourced from PubChem (CID 142069991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).