N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide

C9H15N3O — CID 44575445

IUPACN-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide
SMILESCNCCCN(C=O)c1cc[nH]c1
InChIInChI=1S/C9H15N3O/c1-10-4-2-6-12(8-13)9-3-5-11-7-9/h3,5,7-8,10-11H,2,4,6H2,1H3
InChIKeyPWAHPDLRHBCVEU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.59
Rot. Bonds6

About N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide

N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide (PubChem CID 44575445) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide
PubChem CID44575445
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide
SMILESCNCCCN(C=O)c1cc[nH]c1
InChIInChI=1S/C9H15N3O/c1-10-4-2-6-12(8-13)9-3-5-11-7-9/h3,5,7-8,10-11H,2,4,6H2,1H3
InChIKeyPWAHPDLRHBCVEU-UHFFFAOYSA-N
XLogP0.59
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide?
The IUPAC name of N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide (CID 44575445) is N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide?
The canonical SMILES for N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide is CNCCCN(C=O)c1cc[nH]c1.
What is the InChIKey of N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide?
The InChIKey is PWAHPDLRHBCVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-4-2-6-12(8-13)9-3-5-11-7-9/h3,5,7-8,10-11H,2,4,6H2,1H3.
What are the key properties of N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide?
N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide has a molecular weight of 181.24 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-N-(1H-pyrrol-3-yl)formamide is sourced from PubChem (CID 44575445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).