prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate

C18H23N3O2 — CID 54473685

IUPACprop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
SMILESC=CCOC(=O)Nc1ccc2[nH]c3c(c2c1)CC(N(C)C)CC3
InChIInChI=1S/C18H23N3O2/c1-4-9-23-18(22)19-12-5-7-16-14(10-12)15-11-13(21(2)3)6-8-17(15)20-16/h4-5,7,10,13,20H,1,6,8-9,11H2,2-3H3,(H,19,22)
InChIKeyXKBIWKPMAYSKBI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.32
Rot. Bonds4

About prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate

prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate (PubChem CID 54473685) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
PubChem CID54473685
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameprop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
SMILESC=CCOC(=O)Nc1ccc2[nH]c3c(c2c1)CC(N(C)C)CC3
InChIInChI=1S/C18H23N3O2/c1-4-9-23-18(22)19-12-5-7-16-14(10-12)15-11-13(21(2)3)6-8-17(15)20-16/h4-5,7,10,13,20H,1,6,8-9,11H2,2-3H3,(H,19,22)
InChIKeyXKBIWKPMAYSKBI-UHFFFAOYSA-N
XLogP3.32
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate?
The IUPAC name of prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate (CID 54473685) is prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate is C=CCOC(=O)Nc1ccc2[nH]c3c(c2c1)CC(N(C)C)CC3.
What is the InChIKey of prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate?
The InChIKey is XKBIWKPMAYSKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-9-23-18(22)19-12-5-7-16-14(10-12)15-11-13(21(2)3)6-8-17(15)20-16/h4-5,7,10,13,20H,1,6,8-9,11H2,2-3H3,(H,19,22).
What are the key properties of prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate?
prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate is sourced from PubChem (CID 54473685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).