1-[(1R)-1-azidopropyl]-3-methylbenzene

C10H13N3 — CID 130543467

IUPAC1-[(1R)-1-azidopropyl]-3-methylbenzene
SMILESCC[C@@H](N=[N+]=[N-])c1cccc(C)c1
InChIInChI=1S/C10H13N3/c1-3-10(12-13-11)9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3/t10-/m1/s1
InChIKeyWRJQSBWLDJLVEK-SNVBAGLBSA-N
MW175.23 g/mol
LogP3.76
Rot. Bonds3

About 1-[(1R)-1-azidopropyl]-3-methylbenzene

1-[(1R)-1-azidopropyl]-3-methylbenzene (PubChem CID 130543467) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-[(1R)-1-azidopropyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(1R)-1-azidopropyl]-3-methylbenzene
PubChem CID130543467
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name1-[(1R)-1-azidopropyl]-3-methylbenzene
SMILESCC[C@@H](N=[N+]=[N-])c1cccc(C)c1
InChIInChI=1S/C10H13N3/c1-3-10(12-13-11)9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3/t10-/m1/s1
InChIKeyWRJQSBWLDJLVEK-SNVBAGLBSA-N
XLogP3.76
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-azido-2-(3-methylphenyl)ethanol
CID 150053824
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
1-[di(butan-2-yloxy)methyl]-3-methylbenzene
CID 23199715
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
1-methyl-3-[1-[2-(3-methylphenyl)butoxy]butan-2-yl]benzene
CID 139620258
1-(1,2-diazidoethyl)-4-methylbenzene
CID 22555830
3-(3-methylphenyl)pentan-2-ol
CID 130543430
3-(3-methylphenyl)pentan-1-amine
CID 82074944
1-methyl-3-[(3S)-pent-1-en-3-yl]benzene
CID 177475043
ethyl-tris(3-methylphenyl)phosphanium
CID 18958193
1-(diisocyanomethyl)-3-methylbenzene
CID 57015247
1-[(1R)-1-azidopropyl]-2-fluorobenzene
CID 104853505

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-azidopropyl]-3-methylbenzene?
The IUPAC name of 1-[(1R)-1-azidopropyl]-3-methylbenzene (CID 130543467) is 1-[(1R)-1-azidopropyl]-3-methylbenzene.
What is the SMILES notation for 1-[(1R)-1-azidopropyl]-3-methylbenzene?
The canonical SMILES for 1-[(1R)-1-azidopropyl]-3-methylbenzene is CC[C@@H](N=[N+]=[N-])c1cccc(C)c1.
What is the InChIKey of 1-[(1R)-1-azidopropyl]-3-methylbenzene?
The InChIKey is WRJQSBWLDJLVEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13N3/c1-3-10(12-13-11)9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-azidopropyl]-3-methylbenzene?
1-[(1R)-1-azidopropyl]-3-methylbenzene has a molecular weight of 175.23 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-azidopropyl]-3-methylbenzene is sourced from PubChem (CID 130543467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).