CID 162267020

C10H13BN — CID 162267020

IUPAC—
SMILES[B].c1cc2n(c1)CC1CCCC21
InChIInChI=1S/C10H13N.B/c1-3-8-7-11-6-2-5-10(11)9(8)4-1;/h2,5-6,8-9H,1,3-4,7H2;
InChIKeyBPAQSCVVZAISNC-UHFFFAOYSA-N
MW158.03 g/mol
LogP2.00
Rot. Bonds

About CID 162267020

CID 162267020 (PubChem CID 162267020) has the molecular formula C10H13BN and a molecular weight of 158.03 g/mol.

Molecular Properties

Compound NameCID 162267020
PubChem CID162267020
Molecular FormulaC10H13BN
Molecular Weight158.03 g/mol
Exact Mass158.11
IUPAC Name—
SMILES[B].c1cc2n(c1)CC1CCCC21
InChIInChI=1S/C10H13N.B/c1-3-8-7-11-6-2-5-10(11)9(8)4-1;/h2,5-6,8-9H,1,3-4,7H2;
InChIKeyBPAQSCVVZAISNC-UHFFFAOYSA-N
XLogP2.00
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.03
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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trans-(1S,2R)-2-(1-methylpyrrol-2-yl)cyclopentane-1-carbaldehyde
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5,6,7,8-tetrahydroindolizine-8-carbaldehyde
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1-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolizine-2-carbonitrile
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CID 6551054
2,3,3a,4,5,6,7,7a-octahydro-1H-indene;naphthalene
CID 159909847
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Frequently Asked Questions

What is the IUPAC name of CID 162267020?
The IUPAC name of CID 162267020 (CID 162267020) is not available.
What is the SMILES notation for CID 162267020?
The canonical SMILES for CID 162267020 is [B].c1cc2n(c1)CC1CCCC21.
What is the InChIKey of CID 162267020?
The InChIKey is BPAQSCVVZAISNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.B/c1-3-8-7-11-6-2-5-10(11)9(8)4-1;/h2,5-6,8-9H,1,3-4,7H2;.
What are the key properties of CID 162267020?
CID 162267020 has a molecular weight of 158.03 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162267020 is sourced from PubChem (CID 162267020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).