N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide

C16H18N2O — CID 124879022

IUPACN-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCCc2c1[nH]c1ccccc21)C1CC1
InChIInChI=1S/C16H18N2O/c19-16(10-8-9-10)18-14-7-3-5-12-11-4-1-2-6-13(11)17-15(12)14/h1-2,4,6,10,14,17H,3,5,7-9H2,(H,18,19)/t14-/m0/s1
InChIKeyOXZRHQIEAYAQDR-AWEZNQCLSA-N
MW254.33 g/mol
LogP3.07
Rot. Bonds2

About N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide

N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide (PubChem CID 124879022) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
PubChem CID124879022
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
SMILESO=C(N[C@H]1CCCc2c1[nH]c1ccccc21)C1CC1
InChIInChI=1S/C16H18N2O/c19-16(10-8-9-10)18-14-7-3-5-12-11-4-1-2-6-13(11)17-15(12)14/h1-2,4,6,10,14,17H,3,5,7-9H2,(H,18,19)/t14-/m0/s1
InChIKeyOXZRHQIEAYAQDR-AWEZNQCLSA-N
XLogP3.07
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-4-carboxamide
CID 110207920
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 97496950
N-(2-chlorophenyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333996
N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide
CID 75489434
3-methyl-4-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]phthalazine-1-carboxamide
CID 99755073
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
(3S)-1-(1,3-benzodioxol-5-ylmethyl)-5-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyrrolidine-3-carboxamide
CID 126418465
1-methyl-2-oxo-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)quinoline-4-carboxamide
CID 75489945
tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate
CID 107236657

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide (CID 124879022) is N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide is O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)C1CC1.
What is the InChIKey of N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide?
The InChIKey is OXZRHQIEAYAQDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O/c19-16(10-8-9-10)18-14-7-3-5-12-11-4-1-2-6-13(11)17-15(12)14/h1-2,4,6,10,14,17H,3,5,7-9H2,(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide?
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide is sourced from PubChem (CID 124879022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).