2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile

C18H19N3O — CID 110929658

IUPAC2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile
SMILESCN(CC#N)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H19N3O/c1-20(11-10-19)12-14(22)13-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,14,22H,11-13H2,1H3
InChIKeyUMWZABAHFKQAIH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.61
Rot. Bonds5

About 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile

2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile (PubChem CID 110929658) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile
PubChem CID110929658
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile
SMILESCN(CC#N)CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H19N3O/c1-20(11-10-19)12-14(22)13-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,14,22H,11-13H2,1H3
InChIKeyUMWZABAHFKQAIH-UHFFFAOYSA-N
XLogP2.61
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Iprindole
CID 21722
Mebhydrolin
CID 22530
Avn-101
CID 42631003
N-Vinylcarbazole
CID 15143
1-Methyl-2-phenylindole
CID 77095
9H-Carbazole-9-ethanol, alpha-(1-piperidinylmethyl)-
CID 56210
9H-Carbazole-9-methanol
CID 75480
N-ethyl carbazole
CID 6836
N-Methylcarbazole
CID 15142
9H-Carbazole, 9-(1-methylethyl)-
CID 73873
1-(9H-Carbazol-9-yl)-3-(morpholin-4-yl)propan-2-ol
CID 56212
3,6-Dibromo-alpha-((dimethylamino)methyl)-9H-carbazole-9-ethanol
CID 2775510

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile?
The IUPAC name of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile (CID 110929658) is 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile.
What is the SMILES notation for 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile?
The canonical SMILES for 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile is CN(CC#N)CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile?
The InChIKey is UMWZABAHFKQAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-20(11-10-19)12-14(22)13-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,14,22H,11-13H2,1H3.
What are the key properties of 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile?
2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile has a molecular weight of 293.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbazol-9-yl-2-hydroxypropyl)-methylamino]acetonitrile is sourced from PubChem (CID 110929658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).