(2S)-2-benzylazetidine;molecular hydrogen

C10H15N — CID 145023089

IUPAC(2S)-2-benzylazetidine;molecular hydrogen
SMILES[H][H].c1ccc(C[C@H]2CCN2)cc1
InChIInChI=1S/C10H13N.H2/c1-2-4-9(5-3-1)8-10-6-7-11-10;/h1-5,10-11H,6-8H2;1H/t10-;/m1./s1
InChIKeyFBVYTNULQIRDLN-HNCPQSOCSA-N
MW149.24 g/mol
LogP1.84
Rot. Bonds2

About (2S)-2-benzylazetidine;molecular hydrogen

(2S)-2-benzylazetidine;molecular hydrogen (PubChem CID 145023089) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2S)-2-benzylazetidine;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-benzylazetidine;molecular hydrogen
PubChem CID145023089
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2S)-2-benzylazetidine;molecular hydrogen
SMILES[H][H].c1ccc(C[C@H]2CCN2)cc1
InChIInChI=1S/C10H13N.H2/c1-2-4-9(5-3-1)8-10-6-7-11-10;/h1-5,10-11H,6-8H2;1H/t10-;/m1./s1
InChIKeyFBVYTNULQIRDLN-HNCPQSOCSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(4-methoxyphenyl)methyl]azetidine
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(2S)-2-(phenylmethoxymethyl)azetidine
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2-(benzylsulfanylmethyl)azetidine
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(9R)-9-benzyl-1,4-diazonan-5-one
CID 142448424
(4-benzylpiperidin-2-yl)methanol
CID 91169099
(2S)-2-benzyl-1,4-diazocane
CID 101486734
2-benzylpiperidine;pentanoic acid
CID 174412963
3-benzyl-1-cyclopropylpiperazine
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3-benzylpyrrolidine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylazetidine;molecular hydrogen?
The IUPAC name of (2S)-2-benzylazetidine;molecular hydrogen (CID 145023089) is (2S)-2-benzylazetidine;molecular hydrogen.
What is the SMILES notation for (2S)-2-benzylazetidine;molecular hydrogen?
The canonical SMILES for (2S)-2-benzylazetidine;molecular hydrogen is [H][H].c1ccc(C[C@H]2CCN2)cc1.
What is the InChIKey of (2S)-2-benzylazetidine;molecular hydrogen?
The InChIKey is FBVYTNULQIRDLN-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H13N.H2/c1-2-4-9(5-3-1)8-10-6-7-11-10;/h1-5,10-11H,6-8H2;1H/t10-;/m1./s1.
What are the key properties of (2S)-2-benzylazetidine;molecular hydrogen?
(2S)-2-benzylazetidine;molecular hydrogen has a molecular weight of 149.24 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylazetidine;molecular hydrogen is sourced from PubChem (CID 145023089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).