4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile

C15H15N3 — CID 23079907

IUPAC4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCC(N)C2)c2ccccc12
InChIInChI=1S/C15H15N3/c16-9-11-5-6-15(18-8-7-12(17)10-18)14-4-2-1-3-13(11)14/h1-6,12H,7-8,10,17H2
InChIKeyYNGATQROBXKNEE-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.25
Rot. Bonds1

About 4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile

4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile (PubChem CID 23079907) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
PubChem CID23079907
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(N2CCC(N)C2)c2ccccc12
InChIInChI=1S/C15H15N3/c16-9-11-5-6-15(18-8-7-12(17)10-18)14-4-2-1-3-13(11)14/h1-6,12H,7-8,10,17H2
InChIKeyYNGATQROBXKNEE-UHFFFAOYSA-N
XLogP2.25
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]benzonitrile
CID 94340791
2-(3-aminopyrrolidin-1-yl)-5-phenylbenzonitrile
CID 67060455
1-(4-cyanonaphthalen-1-yl)piperidine-3-carbonitrile
CID 11594114
1-(4-cyanonaphthalen-1-yl)piperidine-4-carboxamide
CID 11514656
2-(3-aminopyrrolidin-1-yl)-5-chlorobenzonitrile
CID 62494377
2-[1-(4-cyanonaphthalen-1-yl)piperidin-4-yl]acetic acid
CID 68711598
2-[(3S)-3-aminopyrrolidin-1-yl]-4-phenylbenzonitrile;hydrochloride
CID 67060561
2-(3-aminopyrrolidin-1-yl)-4-bromobenzonitrile
CID 112694717
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]naphthalene-1-carbonitrile
CID 146320254
4-(3-aminopyrrolidin-1-yl)-2-bromo-3-fluorobenzonitrile
CID 107537637
2-[(3S)-3-aminopyrrolidin-1-yl]-5-nitrobenzonitrile
CID 67060532
2-(3-aminopyrrolidin-1-yl)-5-pyrimidin-2-ylbenzonitrile;hydrochloride
CID 67060441

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile?
The IUPAC name of 4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile (CID 23079907) is 4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile is N#Cc1ccc(N2CCC(N)C2)c2ccccc12.
What is the InChIKey of 4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile?
The InChIKey is YNGATQROBXKNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-9-11-5-6-15(18-8-7-12(17)10-18)14-4-2-1-3-13(11)14/h1-6,12H,7-8,10,17H2.
What are the key properties of 4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile?
4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrrolidin-1-yl)naphthalene-1-carbonitrile is sourced from PubChem (CID 23079907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).