N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide

C12H22N2O2 — CID 66837795

IUPACN-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1CCC(O)CC1)N1CCCC1
InChIInChI=1S/C12H22N2O2/c15-11-5-3-10(4-6-11)9-13-12(16)14-7-1-2-8-14/h10-11,15H,1-9H2,(H,13,16)
InChIKeyMXRSVCXFXZYWAE-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.34
Rot. Bonds2

About N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide

N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 66837795) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide
PubChem CID66837795
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCC1CCC(O)CC1)N1CCCC1
InChIInChI=1S/C12H22N2O2/c15-11-5-3-10(4-6-11)9-13-12(16)14-7-1-2-8-14/h10-11,15H,1-9H2,(H,13,16)
InChIKeyMXRSVCXFXZYWAE-UHFFFAOYSA-N
XLogP1.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide (CID 66837795) is N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide is O=C(NCC1CCC(O)CC1)N1CCCC1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is MXRSVCXFXZYWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-11-5-3-10(4-6-11)9-13-12(16)14-7-1-2-8-14/h10-11,15H,1-9H2,(H,13,16).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 66837795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).