1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea

C16H17N3O — CID 54512666

IUPAC1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea
SMILESCN1CCCC1=NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H17N3O/c1-19-11-5-10-15(19)18-16(20)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9H,5,10-11H2,1H3,(H,17,20)
InChIKeyYKFUDSVNZVOAOG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.50
Rot. Bonds1

About 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea

1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea (PubChem CID 54512666) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea
PubChem CID54512666
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea
SMILESCN1CCCC1=NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H17N3O/c1-19-11-5-10-15(19)18-16(20)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9H,5,10-11H2,1H3,(H,17,20)
InChIKeyYKFUDSVNZVOAOG-UHFFFAOYSA-N
XLogP3.50
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea 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

(3E)-1-(2,6-diethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
CID 6445862
(2E)-2-hydroxyimino-N-naphthalen-1-ylazepane-1-carboxamide
CID 134106739
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
(5S)-7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95221008
7-methyl-N-naphthalen-1-yl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 56755645
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
naphthalen-1-ylurea;hydrochloride
CID 141142203
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea (CID 54512666) is 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea is CN1CCCC1=NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea?
The InChIKey is YKFUDSVNZVOAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19-11-5-10-15(19)18-16(20)17-14-9-4-7-12-6-2-3-8-13(12)14/h2-4,6-9H,5,10-11H2,1H3,(H,17,20).
What are the key properties of 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea?
1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea has a molecular weight of 267.33 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-ylidene)-3-naphthalen-1-ylurea is sourced from PubChem (CID 54512666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).