7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile

C17H18N2 — CID 20640458

IUPAC7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2ccc(CC[C@H]3CCCN3)cc2c1
InChIInChI=1S/C17H18N2/c18-12-14-4-7-15-6-3-13(10-16(15)11-14)5-8-17-2-1-9-19-17/h3-4,6-7,10-11,17,19H,1-2,5,8-9H2/t17-/m1/s1
InChIKeyCVLOTTGSTGUTCZ-QGZVFWFLSA-N
MW250.35 g/mol
LogP3.40
Rot. Bonds3

About 7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile

7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile (PubChem CID 20640458) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile
PubChem CID20640458
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile
SMILESN#Cc1ccc2ccc(CC[C@H]3CCCN3)cc2c1
InChIInChI=1S/C17H18N2/c18-12-14-4-7-15-6-3-13(10-16(15)11-14)5-8-17-2-1-9-19-17/h3-4,6-7,10-11,17,19H,1-2,5,8-9H2/t17-/m1/s1
InChIKeyCVLOTTGSTGUTCZ-QGZVFWFLSA-N
XLogP3.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
6-[2-[1-(pyrrolidine-2-carbonyl)pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile
CID 21251180
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104973065
7-ethylnaphthalene-2-carbonitrile
CID 134555002
1-(3-cyanophenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972420
4-methyl-3-(3-pyrrolidin-2-ylpropoxy)benzonitrile
CID 107658250
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
2-[2-(3-isothiocyanatophenyl)ethyl]pyrrolidine
CID 87889178
2-[2-(3-bromo-4-fluorophenyl)ethyl]piperidine
CID 104703716
N-methyl-N-(naphthalen-2-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210395
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
CID 60869539

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile?
The IUPAC name of 7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile (CID 20640458) is 7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile.
What is the SMILES notation for 7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile?
The canonical SMILES for 7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile is N#Cc1ccc2ccc(CC[C@H]3CCCN3)cc2c1.
What is the InChIKey of 7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile?
The InChIKey is CVLOTTGSTGUTCZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2/c18-12-14-4-7-15-6-3-13(10-16(15)11-14)5-8-17-2-1-9-19-17/h3-4,6-7,10-11,17,19H,1-2,5,8-9H2/t17-/m1/s1.
What are the key properties of 7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile?
7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile has a molecular weight of 250.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(2S)-pyrrolidin-2-yl]ethyl]naphthalene-2-carbonitrile is sourced from PubChem (CID 20640458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).