1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine

C17H27N — CID 145157138

IUPAC1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine
SMILESC=C(C)C(C1=CC[C@@H](C(=C)C)CC1)N1CCCC1
InChIInChI=1S/C17H27N/c1-13(2)15-7-9-16(10-8-15)17(14(3)4)18-11-5-6-12-18/h9,15,17H,1,3,5-8,10-12H2,2,4H3/t15-,17?/m1/s1
InChIKeyWUEMJINPLZBIPI-LDCVWXEPSA-N
MW245.41 g/mol
LogP4.33
Rot. Bonds4

About 1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine

1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine (PubChem CID 145157138) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine
PubChem CID145157138
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine
SMILESC=C(C)C(C1=CC[C@@H](C(=C)C)CC1)N1CCCC1
InChIInChI=1S/C17H27N/c1-13(2)15-7-9-16(10-8-15)17(14(3)4)18-11-5-6-12-18/h9,15,17H,1,3,5-8,10-12H2,2,4H3/t15-,17?/m1/s1
InChIKeyWUEMJINPLZBIPI-LDCVWXEPSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 6476638
CID 6476638
CID 44376874
CID 44376874
CID 134827995
CID 134827995
CID 10998976
CID 10998976
CID 11117679
CID 11117679
CID 72775341
CID 72775341
CID 71132743
CID 71132743
CID 134386445
CID 134386445
CID 143396173
CID 143396173
CID 145351260
CID 145351260
CID 168231891
CID 168231891
CID 170422961
CID 170422961

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine?
The IUPAC name of 1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine (CID 145157138) is 1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine.
What is the SMILES notation for 1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine?
The canonical SMILES for 1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine is C=C(C)C(C1=CC[C@@H](C(=C)C)CC1)N1CCCC1.
What is the InChIKey of 1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine?
The InChIKey is WUEMJINPLZBIPI-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)15-7-9-16(10-8-15)17(14(3)4)18-11-5-6-12-18/h9,15,17H,1,3,5-8,10-12H2,2,4H3/t15-,17?/m1/s1.
What are the key properties of 1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine?
1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine has a molecular weight of 245.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enyl]pyrrolidine is sourced from PubChem (CID 145157138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).