1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride

C22H27ClN2O — CID 122483263

IUPAC1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride
SMILESCl.O=C(CCCCCN1CCCC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C22H26N2O.ClH/c25-22(14-2-1-7-15-23-16-8-9-17-23)24-20-12-5-3-10-18(20)19-11-4-6-13-21(19)24;/h3-6,10-13H,1-2,7-9,14-17H2;1H
InChIKeyADRMCQAYWZSPIE-UHFFFAOYSA-N
MW370.92 g/mol
LogP5.51
Rot. Bonds6

About 1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride

1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride (PubChem CID 122483263) has the molecular formula C22H27ClN2O and a molecular weight of 370.92 g/mol. Its IUPAC name is 1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride.

Molecular Properties

Compound Name1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride
PubChem CID122483263
Molecular FormulaC22H27ClN2O
Molecular Weight370.92 g/mol
Exact Mass370.18
IUPAC Name1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride
SMILESCl.O=C(CCCCCN1CCCC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C22H26N2O.ClH/c25-22(14-2-1-7-15-23-16-8-9-17-23)24-20-12-5-3-10-18(20)19-11-4-6-13-21(19)24;/h3-6,10-13H,1-2,7-9,14-17H2;1H
InChIKeyADRMCQAYWZSPIE-UHFFFAOYSA-N
XLogP5.51
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.92
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 122483255
6-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylhexan-1-one
CID 122483222
5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
CID 122483225
5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one
CID 122483226
5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
CID 122483259
1-carbazol-9-yl-7-[4-(2-methoxyphenyl)piperazin-1-yl]heptan-1-one
CID 122498630
1-carbazol-9-yl-2-piperidin-1-ylethanone
CID 3510891
1-carbazol-9-yl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-one
CID 122483254
5-bromo-1-carbazol-9-ylpentan-1-one
CID 122483241
1-naphthalen-1-yl-6-piperidin-1-ylhexan-1-one
CID 54160942
3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
CID 139708502
2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
CID 61493986

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride?
The IUPAC name of 1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride (CID 122483263) is 1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride.
What is the SMILES notation for 1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride?
The canonical SMILES for 1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride is Cl.O=C(CCCCCN1CCCC1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride?
The InChIKey is ADRMCQAYWZSPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.ClH/c25-22(14-2-1-7-15-23-16-8-9-17-23)24-20-12-5-3-10-18(20)19-11-4-6-13-21(19)24;/h3-6,10-13H,1-2,7-9,14-17H2;1H.
What are the key properties of 1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride?
1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-6-pyrrolidin-1-ylhexan-1-one;hydrochloride is sourced from PubChem (CID 122483263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).