(1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol

C14H25NO — CID 15906522

IUPAC(1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESC=C(C)[C@H]1CC[C@@](C)(O)[C@H](N2CCCC2)C1
InChIInChI=1S/C14H25NO/c1-11(2)12-6-7-14(3,16)13(10-12)15-8-4-5-9-15/h12-13,16H,1,4-10H2,2-3H3/t12-,13+,14+/m0/s1
InChIKeyJARHESTYMMDPAY-BFHYXJOUSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds2

About (1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol

(1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol (PubChem CID 15906522) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
PubChem CID15906522
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESC=C(C)[C@H]1CC[C@@](C)(O)[C@H](N2CCCC2)C1
InChIInChI=1S/C14H25NO/c1-11(2)12-6-7-14(3,16)13(10-12)15-8-4-5-9-15/h12-13,16H,1,4-10H2,2-3H3/t12-,13+,14+/m0/s1
InChIKeyJARHESTYMMDPAY-BFHYXJOUSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The IUPAC name of (1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol (CID 15906522) is (1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The canonical SMILES for (1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol is C=C(C)[C@H]1CC[C@@](C)(O)[C@H](N2CCCC2)C1.
What is the InChIKey of (1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The InChIKey is JARHESTYMMDPAY-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)12-6-7-14(3,16)13(10-12)15-8-4-5-9-15/h12-13,16H,1,4-10H2,2-3H3/t12-,13+,14+/m0/s1.
What are the key properties of (1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
(1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-1-methyl-4-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 15906522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).