(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene

C22H31N — CID 144690725

IUPAC(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
SMILESC/C=C\C.C=CC.CC.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C13H11N.C4H8.C3H6.C2H6/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-3-4-2;1-3-2;1-2/h2-9H,1H3;3-4H,1-2H3;3H,1H2,2H3;1-2H3/b;4-3-;;
InChIKeyVLPPMLOXGMPRJI-MECAPONASA-N
MW309.50 g/mol
LogP7.13
Rot. Bonds

About (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene

(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene (PubChem CID 144690725) has the molecular formula C22H31N and a molecular weight of 309.50 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
PubChem CID144690725
Molecular FormulaC22H31N
Molecular Weight309.50 g/mol
Exact Mass309.25
IUPAC Name(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
SMILESC/C=C\C.C=CC.CC.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C13H11N.C4H8.C3H6.C2H6/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-3-4-2;1-3-2;1-2/h2-9H,1H3;3-4H,1-2H3;3H,1H2,2H3;1-2H3/b;4-3-;;
InChIKeyVLPPMLOXGMPRJI-MECAPONASA-N
XLogP7.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.50
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
2-(9-methylcarbazol-2-yl)-9-phenyl-7-(9-phenylcarbazol-2-yl)carbazole;prop-1-ene
CID 144919650
ethane;9-methylcarbazole;9-phenylcarbazole
CID 159293304
8-methyl-8-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-one
CID 167125984
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
9-methyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;(3Z)-penta-1,3-diene
CID 144919850
2,9-dimethyl-1-[(Z)-prop-1-enyl]carbazole
CID 163717056
9H-carbazole;9-methylcarbazole
CID 142567226

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene?
The IUPAC name of (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene (CID 144690725) is (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene.
What is the SMILES notation for (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene?
The canonical SMILES for (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene is C/C=C\C.C=CC.CC.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene?
The InChIKey is VLPPMLOXGMPRJI-MECAPONASA-N. The full InChI is InChI=1S/C13H11N.C4H8.C3H6.C2H6/c1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-3-4-2;1-3-2;1-2/h2-9H,1H3;3-4H,1-2H3;3H,1H2,2H3;1-2H3/b;4-3-;;.
What are the key properties of (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene?
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene has a molecular weight of 309.50 g/mol, XLogP of 7.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene is sourced from PubChem (CID 144690725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).